ChemicalBook--->CAS DataBase List--->93-98-1

93-98-1

93-98-1 Structure

93-98-1 Structure
IdentificationMore
[Name]

BENZANILIDE
[CAS]

93-98-1
[Synonyms]

BENZANILIDE
N-BENZOYLANILINE
N-PHENYLBENZAMIDE
Benzamide, N-phenyl-
Benzamide,N-phenyl-
Benzanilid
Benzoic acid anilide
Benzoylanilide
n-phenyl-benzamid
N-Phenylbenzoicacidamide
BENZANILIDE, 1000MG, NEAT
BENZANILIDE 99+%
BenzanilideForSynthesis
Benzanilide, 98+%
BENZANIIIDE
N-Benzoylaniline, N-Phenylbenzamide
[EINECS(EC#)]

202-292-7
[Molecular Formula]

C13H11NO
[MDL Number]

MFCD00003069
[Molecular Weight]

197.23
[MOL File]

93-98-1.mol
Chemical PropertiesBack Directory
[Appearance]

greyish to yellow-green powder
[Melting point ]

161-163 °C(lit.)
[Boiling point ]

117 °C10 mm Hg(lit.)
[density ]

1,315 g/cm3
[refractive index ]

1.6050 (estimate)
[Fp ]

117°C/10mm
[storage temp. ]

Store below +30°C.
[solubility ]

H2O: insoluble
[Colour Index ]

42095
[form ]

Powder
[pka]

13.52±0.70(Predicted)
[color ]

Grayish to yellow-green
[Water Solubility ]

Insoluble
[Detection Methods]

HPLC
[Merck ]

14,1061
[BRN ]

1102980
[InChI]

1S/C13H11NO/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,14,15)
[InChIKey]

ZVSKZLHKADLHSD-UHFFFAOYSA-N
[SMILES]

O=C(Nc1ccccc1)c2ccccc2
[CAS DataBase Reference]

93-98-1(CAS DataBase Reference)
[NIST Chemistry Reference]

N-Phenylbenzoic acid amide(93-98-1)
[EPA Substance Registry System]

93-98-1(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29242990
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Sodium hydroxide-->Hydrochloric acid-->Ethyl acetate-->Methanol-->Dichloromethane-->Triethylamine-->Ammonia-->Acetonitrile-->Aniline-->Ethylenediamine-->Benzoyl chloride-->Acetaldehyde-->Benzenesulfenamide,N-phenyl--->Phenylsulfenylchloride
[Preparation Products]

2-Methyl-5-nitroimidazole-->Pigment Red 32-->Metronidazole-->FAST BLUE BB SALT-->4-(Dimethylamino)benzophenone-->Direct Green 89-->Direct Blending Brown D-RS-->Direct Dark Brown NM-->Direct Bordeaux NGB-->Direct Black 166-->N-BOC ANILINE
Hazard InformationBack Directory
[Chemical Properties]

greyish to yellow-green powder
[Uses]

Benzanilide is used to make dyes, active pharmaceutical ingredients and perfumes. It is also used to study the influence of beta-cyclodextrin on photorearrangement of acetanilide, benzanilide and ethyl phenyl carbonate. Further, it is used as an amide model compound to study the reaction between the amide and epoxy. In addition to this, it reacts with aryltriflates in the presence of palladium-based catalyst system to get N-(2,6-diarylbenzoyl)anilines.
[Uses]

manufacture of dyes and perfumes.
[Synthesis Reference(s)]

Journal of Heterocyclic Chemistry, 24, p. 187, 1987 DOI: 10.1002/jhet.5570240135
The Journal of Organic Chemistry, 20, p. 1482, 1955 DOI: 10.1021/jo01128a004
Tetrahedron Letters, 31, p. 1063, 1990 DOI: 10.1016/S0040-4039(00)94431-9
[General Description]

Benzanilide undergoes diarylation with aryl triflates or bromides in the presence of a palladium-based catalyst system to form corresponding N-(2,6-diarylbenzoyl)anilines. It is used in manufacture of dyes and perfumes.
[Purification Methods]

Crystallise benzanilide from pet ether (b 70-90o) using a Soxhlet extractor, and dry it overnight at 120o. Also crystallise it from EtOH. [Beilstein 12 IV 417.]
Spectrum DetailBack Directory
[Spectrum Detail]

BENZANILIDE(93-98-1)MS
BENZANILIDE(93-98-1)1HNMR
BENZANILIDE(93-98-1)13CNMR
BENZANILIDE(93-98-1)IR1
BENZANILIDE(93-98-1)IR2
BENZANILIDE(93-98-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Benzanilide, 98%(93-98-1)
[Alfa Aesar]

Benzanilide, 98+%(93-98-1)
[Sigma Aldrich]

93-98-1(sigmaaldrich)
[TCI AMERICA]

Benzanilide,>98.0%(GC)(93-98-1)
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